%nprocshared=8
%mem=23GB
%chk=red1_m1T3_H25C22O2SiP_m062xdef2tzvp_373diosmd.chk
#p opt=(ts,noeigentest,calcfc,maxcyc=300,maxstep=7) rm062x/def2tzvp scrf=(solvent=1,4-dioxane,read,smd) pop=(nbo,savenbos) int=grid=ultrafine scf=(save,xqc) temperature=373.15 empiricaldispersion=gd3 geom=connectivity

Title Card Required

0 1
 P                  2.13458400   -1.42686800   -0.21093900
 C                  2.45347300    0.33749000   -0.29919700
 C                  3.11014100    0.92104100   -1.37905300
 C                  1.97103500    1.13269700    0.74181000
 C                  3.29386500    2.29612100   -1.41158800
 C                  2.16116300    2.50351700    0.70234700
 C                  2.82207600    3.08434900   -0.37208300
 O                 -0.29516800   -1.19482100    0.96479500
 Si                -1.57222400   -0.26965000    1.04208900
 H                  0.72668500   -1.63641800   -0.30759100
 C                  2.68109600   -2.10381000    1.38824600
 C                  3.28666600   -2.38219000   -1.25384900
 C                 -1.29597700    1.47490600    0.37586100
 C                 -1.41164800    2.61503400    1.17307400
 C                 -0.90542100    1.65426400   -0.95556400
 C                 -1.14163000    3.88258800    0.66644100
 C                 -0.63092300    2.91277900   -1.47024400
 C                 -0.74730000    4.03333800   -0.65533000
 H                 -1.71860400    2.50398000    2.20693400
 H                 -0.81357400    0.78821500   -1.60571500
 H                 -1.24172600    4.75378500    1.30317900
 H                 -0.32647100    3.02386200   -2.50415700
 H                 -0.53602600    5.01902400   -1.05209000
 H                  2.72833500   -3.22849600   -1.65884500
 H                  3.68137800   -1.81402300   -2.09278500
 C                  3.62755200   -3.25693400    1.02125700
 C                  4.35913300   -2.86037800   -0.26341800
 H                  2.95757200    4.15790700   -0.40455000
 H                  3.47512500    0.31879200   -2.20063300
 H                  1.41822400    0.67435700    1.55361900
 H                  4.31981800   -3.46562000    1.83590700
 H                  3.04727300   -4.16496700    0.84248200
 H                  5.05250600   -2.04136800   -0.05509700
 H                  3.20482500   -1.31425700    1.92934900
 H                  1.80130000   -2.39123800    1.96000200
 H                  3.80149700    2.74949900   -2.25286200
 H                  1.76998600    3.12051200    1.50005000
 C                 -3.00351300   -1.01725100    0.06117000
 C                 -4.25333500   -0.39396400   -0.00566000
 C                 -2.84179900   -2.21694500   -0.63388500
 C                 -5.29895400   -0.94394200   -0.73390400
 H                 -4.41035900    0.54143100    0.52266000
 C                 -3.88159000   -2.77652800   -1.36811300
 H                 -1.88123000   -2.71916600   -0.58598500
 C                 -5.11336500   -2.13930800   -1.41855200
 H                 -6.25919800   -0.44356500   -0.77063200
 H                 -3.73346600   -3.70950400   -1.89913400
 H                 -5.92691400   -2.57096800   -1.98878900
 H                  4.93618600   -3.68523800   -0.68028800
 O                 -2.12465300    0.05500300    2.58071900
 H                 -2.16667300   -0.71110700    3.15710700

 1 2 1.0 10 1.0 11 1.0 12 1.0
 2 3 1.5 4 1.5
 3 5 1.5 29 1.0
 4 6 2.0 30 1.0
 5 7 1.5 36 1.0
 6 7 1.5 37 1.0
 7 28 1.0
 8 9 2.0
 9 13 1.0 38 1.0 50 1.5
 10
 11 26 1.0 34 1.0 35 1.0
 12 24 1.0 25 1.0 27 1.0
 13 14 1.5 15 1.5
 14 16 1.5 19 1.0
 15 17 1.5 20 1.0
 16 18 1.5 21 1.0
 17 18 1.5 22 1.0
 18 23 1.0
 19
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 22
 23
 24
 25
 26 27 1.0 31 1.0 32 1.0
 27 33 1.0 49 1.0
 28
 29
 30
 31
 32
 33
 34
 35
 36
 37
 38 39 1.5 40 1.5
 39 41 1.5 42 1.0
 40 43 1.5 44 1.0
 41 45 1.5 46 1.0
 42
 43 45 1.5 47 1.0
 44
 45 48 1.0
 46
 47
 48
 49
 50 51 1.0
 51

tabs=373.15
Eps=2.07913
EpsInf=1.92280
surfacetensionatinterface=32.13
alpha=1.2

--Link1--
%nprocshared=8
%mem=23GB
%chk=red1_m1T3_H25C22O2SiP_m062xdef2tzvp_373diosmd.chk
#p freq=noraman rm062x/def2tzvp scrf=(solvent=1,4-dioxane,read,smd) pop=(nbo,savenbos) int=grid=ultrafine scf=(save,xqc) temperature=373.15 empiricaldispersion=gd3 geom=check guess=(read,save)

Title Card Required

0 1

tabs=373.15
Eps=2.07913
EpsInf=1.92280
surfacetensionatinterface=32.13
alpha=1.2



